SCHEMBL5471012

SCHEMBL5471012

O=C1c2ccccc2CC1CN1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 1.00
ACHE P22303 5/20 0.76
SIGMAR1 Q99720 5/20 0.65
HTR1A P08908 3/20 0.53
DRD2 P14416 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR7 P34969 1/20 0.53
HRH1 P35367 1/20 0.53
DRD3 P35462 1/20 0.53
HTR2B P41595 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30423421 0.85 METAP1 (0.74) METAP1ACHESIGMAR1HTR1ADRD2
Hydrochloric Acid SCHEMBL29583950 0.84 METAP1 (0.74) METAP1ACHESIGMAR1HTR1ADRD2
SCHEMBL5356984 0.84 METAP1 (0.72) METAP1ACHESIGMAR1HTR1ADRD2
SCHEMBL11729469 0.78 METAP1 (0.64) METAP1ACHESIGMAR1HTR1A
SCHEMBL1274057 0.78 METAP1 (0.63) METAP1ACHESIGMAR1HTR1ADRD2
Hydrochloric Acid SCHEMBL11637948 0.76 HTR2C (0.78) METAP1ACHEDRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL11246855 0.76 METAP1 (0.62) METAP1ACHE
SCHEMBL11734231 0.75 METAP1 (0.58) METAP1ACHESIGMAR1HTR1ADRD2
SCHEMBL9228040 0.74 SIGMAR1 (0.62) METAP1ACHESIGMAR1HTR1A
SCHEMBL7662896 0.74 METAP1 (0.57) METAP1ACHESIGMAR1HTR1ADRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129549-A1 Stable lamotrigine pharmaceutical compositions and processes for their preparation RANBAXY LABORATORIES LIMITED (IN) 2007-06-07 US disclosed
US-20070129549-A1 Stable lamotrigine pharmaceutical compositions and processes for their preparation RANBAXY LABORATORIES LIMITED (IN) 2007-06-07 US disclosed
EP-1608371-A1 PROCESS FOR THE PREPARATION OF DONEPEZIL AND DERIVATIVES THEREOF RANBAXY LABORATORIES, LTD. (IN) 2005-12-28 EP disclosed
EP-1608371-A1 PROCESS FOR THE PREPARATION OF DONEPEZIL AND DERIVATIVES THEREOF RANBAXY LABORATORIES, LTD. (IN) 2005-12-28 EP disclosed
WO-2004082685-A1 PROCESS FOR THE PREPARATION OF DONEPEZIL AND DERIVATIVES THEREOF RANBAXY LABORATORIES LIMITED (IN) 2004-09-30 WO disclosed
WO-2004082685-A1 PROCESS FOR THE PREPARATION OF DONEPEZIL AND DERIVATIVES THEREOF RANBAXY LABORATORIES LIMITED (IN) 2004-09-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070129549-A1 Stable lamotrigine pharmaceutical compositions and processes for their preparation KCNJ1, KCNJ8, KCNJ2 METAP1 2326/4885ACHE 126/4885SIGMAR1 2285/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.